tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate

C15H27NO3 — CID 58308160

IUPACtert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)=CC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-11(2)8-9-12-10-18-15(6,7)16(12)13(17)19-14(3,4)5/h8,12H,9-10H2,1-7H3/t12-/m0/s1
InChIKeyHZHFFTUHNQRACR-LBPRGKRZSA-N
MW269.38 g/mol
LogP3.71
Rot. Bonds2

About tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 58308160) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate
PubChem CID58308160
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)=CC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-11(2)8-9-12-10-18-15(6,7)16(12)13(17)19-14(3,4)5/h8,12H,9-10H2,1-7H3/t12-/m0/s1
InChIKeyHZHFFTUHNQRACR-LBPRGKRZSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate (CID 58308160) is tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate is CC(C)=CC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is HZHFFTUHNQRACR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)8-9-12-10-18-15(6,7)16(12)13(17)19-14(3,4)5/h8,12H,9-10H2,1-7H3/t12-/m0/s1.
What are the key properties of tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2,2-dimethyl-4-(3-methylbut-2-enyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 58308160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).